2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C15H18F3N5O3S — CID 126852980

IUPAC2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)Nc1nccs1
InChIInChI=1S/C15H18F3N5O3S/c16-15(17,18)9-23-12(25)8-22(14(23)26)10-1-4-21(5-2-10)7-11(24)20-13-19-3-6-27-13/h3,6,10H,1-2,4-5,7-9H2,(H,19,20,24)
InChIKeyUMIZINGAKYLRLV-UHFFFAOYSA-N
MW405.40 g/mol
LogP1.37
Rot. Bonds5

About 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 126852980) has the molecular formula C15H18F3N5O3S and a molecular weight of 405.40 g/mol. Its IUPAC name is 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID126852980
Molecular FormulaC15H18F3N5O3S
Molecular Weight405.40 g/mol
Exact Mass405.11
IUPAC Name2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)Nc1nccs1
InChIInChI=1S/C15H18F3N5O3S/c16-15(17,18)9-23-12(25)8-22(14(23)26)10-1-4-21(5-2-10)7-11(24)20-13-19-3-6-27-13/h3,6,10H,1-2,4-5,7-9H2,(H,19,20,24)
InChIKeyUMIZINGAKYLRLV-UHFFFAOYSA-N
XLogP1.37
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 126852980) is 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is UMIZINGAKYLRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O3S/c16-15(17,18)9-23-12(25)8-22(14(23)26)10-1-4-21(5-2-10)7-11(24)20-13-19-3-6-27-13/h3,6,10H,1-2,4-5,7-9H2,(H,19,20,24).
What are the key properties of 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 405.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,4-dioxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 126852980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).